2-(1,2-oxazol-3-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(1,2-oxazol-3-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(isoxazol-3-ylmethylsulfanyl)-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-(3-isoxazolylmethylthio)-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-(1,2-oxazol-3-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(isoxazol-3-ylmethylthio)-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=NOC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=NOC=C4

InChI

InChI=1S/C17H18N4O4S2/c22-27(23,21-8-2-1-3-9-21)15-6-4-5-13(11-15)16-18-19-17(25-16)26-12-14-7-10-24-20-14/h4-7,10-11H,1-3,8-9,12H2